3-methylbutan-2-yl N-methylcarbamate

C7H15NO2 — CID 20668227

IUPAC3-methylbutan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(3)10-7(9)8-4/h5-6H,1-4H3,(H,8,9)
InChIKeyBEHCYOCVZOJAMH-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.39
Rot. Bonds2

About 3-methylbutan-2-yl N-methylcarbamate

3-methylbutan-2-yl N-methylcarbamate (PubChem CID 20668227) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methylbutan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name3-methylbutan-2-yl N-methylcarbamate
PubChem CID20668227
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-methylbutan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(3)10-7(9)8-4/h5-6H,1-4H3,(H,8,9)
InChIKeyBEHCYOCVZOJAMH-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methylbutan-2-yl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl N-methylcarbamate?
The IUPAC name of 3-methylbutan-2-yl N-methylcarbamate (CID 20668227) is 3-methylbutan-2-yl N-methylcarbamate.
What is the SMILES notation for 3-methylbutan-2-yl N-methylcarbamate?
The canonical SMILES for 3-methylbutan-2-yl N-methylcarbamate is CNC(=O)OC(C)C(C)C.
What is the InChIKey of 3-methylbutan-2-yl N-methylcarbamate?
The InChIKey is BEHCYOCVZOJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)6(3)10-7(9)8-4/h5-6H,1-4H3,(H,8,9).
What are the key properties of 3-methylbutan-2-yl N-methylcarbamate?
3-methylbutan-2-yl N-methylcarbamate has a molecular weight of 145.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl N-methylcarbamate is sourced from PubChem (CID 20668227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).